A discrete interaction model/quantum mechanical method for simulating nonlinear optical properties of molecules near metal surfaces

Molecular Physics

Volumn 111, Issue 9-11, 2013, Pages 1322-1331

  Rinaldi, John Michael ^a   Morton, Seth Michael ^a   Jensen, Lasse ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

first hyperpolarisability; local field effect; polarisable quantum mechanics molecular mechanics method; second harmonic generation; time dependent density functional theory

Indexed keywords

FIRST-HYPERPOLARISABILITY; LOCAL-FIELD EFFECTS; QUANTUM MECHANICS/MOLECULAR MECHANICS; SECOND-HARMONIC; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY; MOLECULAR ELECTRONICS; MOLECULAR MODELING; MOLECULES;

METALS;

EID: 84882454905     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.793419     Document Type: Article

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